SCHEMBL354070

SCHEMBL354070

COCCn1nc(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.46
ROCK2 O75116 14/20 0.46
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL352114 0.88 ROCK2 (0.40) ROCK1ROCK2HDAC1HDAC8HDAC6
SCHEMBL352153 0.85 ROCK1 (0.46) ROCK1ROCK2ATG4B
SCHEMBL354467 0.83 MEN1 (0.35) ROCK1ROCK2HDAC1HDAC8HDAC6
SCHEMBL354561 0.81 ROCK1 (0.44) ROCK1ROCK2ATG4B
SCHEMBL354425 0.81 ROCK1 (0.54) ROCK1ROCK2ATG4B
SCHEMBL354455 0.81 ROCK1 (0.44) ROCK1ROCK2ATG4B
SCHEMBL4725546 0.80 ROCK1 (0.56) ROCK1ROCK2ATG4B
SCHEMBL353559 0.80 ROCK2 (0.52) ROCK1ROCK2ATG4B
Hydrochloric Acid SCHEMBL4961454 0.80 ROCK1 (0.55) ROCK1ROCK2ATG4B
SCHEMBL351562 0.80 ROCK1 (0.55) ROCK1ROCK2ATG4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885HDAC1 156/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.